5-methyl-3-(2-methylphenyl)-2-[(2-oxidanylidene-3,7-dihydropurin-6-yl)sulfanylmethyl]quinazolin-4-one

Systemtic Name: 5-methyl-3-(2-methylphenyl)-2-[(2-oxidanylidene-3,7-dihydropurin-6-yl)sulfanylmethyl]quinazolin-4-one Openeye Name: 5-methyl-3-(o-tolyl)-2-[(2-oxo-3,7-dihydropurin-6-yl)sulfanylmethyl]quinazolin-4-one CAS Name: 5-methyl-3-(2-methylphenyl)-2-[[(2-oxo-3,7-dihydropurin-6-yl)thio]methyl]-4-quinazolinone IUPAC Name: 5-methyl-3-(2-methylphenyl)-2-[(2-oxo-3,7-dihydropurin-6-yl)sulfanylmethyl]quinazolin-4-one Traditional Name: 2-[[(2-keto-3,7-dihydropurin-6-yl)thio]methyl]-5-methyl-3-(o-tolyl)quinazolin-4-one Formula: C22H18N6O2S MolecularWeight: 430.48232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CSC4=NC(=O)NC5=C4NC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CSC4=NC(=O)NC5=C4NC=N5

InChI

InChI=1S/C22H18N6O2S/c1-12-6-3-4-9-15(12)28-16(25-14-8-5-7-13(2)17(14)21(28)29)10-31-20-18-19(24-11-23-18)26-22(30)27-20/h3-9,11H,10H2,1-2H3,(H2,23,24,26,27,30)